NPDHBondInteractionGraph.cc File Reference

Non-templated helper functions for the NPDHBondInteractionGraph. More...

#include <core/pack/interaction_graph/NPDHBondInteractionGraph.hh>
#include <core/chemical/AtomType.hh>
#include <core/chemical/AtomTypeSet.hh>
#include <core/chemical/ResidueType.hh>
#include <core/conformation/Residue.hh>
#include <utility/graph/DisjointSets.hh>
#include <core/pack/interaction_graph/AdditionalBackgroundNodesInteractionGraph.hh>
#include <core/pack/interaction_graph/InteractionGraphBase.hh>
#include <core/pack/interaction_graph/LinearMemoryInteractionGraph.hh>
#include <core/pack/interaction_graph/RotamerDots.hh>
#include <core/pack/task/PackerTask.hh>
#include <core/pack/rotamer_set/RotamerSet.hh>
#include <core/pack/rotamer_set/RotamerSets.hh>
#include <core/pose/Pose.hh>
#include <core/scoring/sasa/util.hh>
#include <core/scoring/hbonds/hbonds.hh>
#include <core/pack/interaction_graph/SurfacePotential.hh>
#include <basic/Tracer.hh>
#include <utility/vector1.hh>
#include <utility/exit.hh>

Namespaces
	core
	A class for reading in the atom type properties.
	core::pack
	core::pack::interaction_graph

Functions
void	core::pack::interaction_graph::compute_alt_weights_for_npd_hbonds (conformation::Residue const &res, utility::vector1< utility::vector1< NPDHBondOP > > const &atom_hbonds,utility::vector1< Real > &tmp_energies,utility::vector1< Real > &temp_weights)
	Compute the don_wt_alt_s and the acc_wt_alt_s from the perspective of the input residue given the (complete) arrays of NPDHBondOPs for each atom. More...

Detailed Description

Non-templated helper functions for the NPDHBondInteractionGraph.

Author

Andrew Leaver-Fay (aleav.nosp@m.erfa.nosp@m.y@gma.nosp@m.il.c.nosp@m.om)